Molecular dynamics study of the solvation of calcium carbonate in water.
about
Calcite surface structure and reactivity: molecular dynamics simulations and macroscopic surface modelling of the calcite-water interface.Uncovering molecular processes in crystal nucleation and growth by using molecular simulation.Thermodynamics and Kinetics of Prenucleation Clusters, Classical and Non-Classical NucleationDynamics of nano-confined water in Portland cement - comparison with synthetic C-S-H gel and other silicate materials.Bonding, structural and thermodynamic analysis of dissociative adsorption of H3O+ ion onto calcite [Formula: see text] surface: CPMD and DFT calculations.Ab initio and metadynamics studies on the role of essential functional groups in biomineralization of calcium carbonate and environmental situations.Insights into water-mediated ion clustering in aqueous CaSO4 solutions: pre-nucleation cluster characteristics studied by ab initio calculations and molecular dynamics simulations.Entropy Drives Calcium Carbonate Ion Association.Langevin equation with colored noise for constant-temperature molecular dynamics simulations.Isothermal-isobaric molecular dynamics using stochastic velocity rescaling.
P2860
Q30422009-6D52C61E-9681-49F0-BC29-0F17D72EEDC2Q37832720-E7934306-F3D4-4303-A8B2-60C55BF55997Q38443418-E81CB47C-2619-4E8E-936F-1E3330A8A327Q41420727-06629C5F-FF65-44B3-A7A6-6E11A732C70CQ46273975-E7721C95-C45F-484E-8F90-4F5D41E58D80Q46283008-6B352A33-C902-4F37-AECE-A8A734E76C6AQ46380949-C1258DF2-DBE0-4C46-8524-FC48DC97DE16Q48054908-ECF877B6-7A8D-4D21-A53A-0BEE74D63073Q50077528-C97EF24D-66F2-4257-9E8F-BB4438694944Q51850911-3B1449FC-1D17-48E4-AF20-5A41F59D33E1
P2860
Molecular dynamics study of the solvation of calcium carbonate in water.
description
2007 nî lūn-bûn
@nan
2007年の論文
@ja
2007年学术文章
@wuu
2007年学术文章
@zh
2007年学术文章
@zh-cn
2007年学术文章
@zh-hans
2007年学术文章
@zh-my
2007年学术文章
@zh-sg
2007年學術文章
@yue
2007年學術文章
@zh-hant
name
Molecular dynamics study of the solvation of calcium carbonate in water.
@en
Molecular dynamics study of the solvation of calcium carbonate in water.
@nl
type
label
Molecular dynamics study of the solvation of calcium carbonate in water.
@en
Molecular dynamics study of the solvation of calcium carbonate in water.
@nl
prefLabel
Molecular dynamics study of the solvation of calcium carbonate in water.
@en
Molecular dynamics study of the solvation of calcium carbonate in water.
@nl
P356
P1476
Molecular dynamics study of the solvation of calcium carbonate in water.
@en
P2093
Fabien Bruneval
Michele Parrinello
P304
12219-12227
P356
10.1021/JP0728306
P407
P577
2007-10-04T00:00:00Z